UCSF

ZINC25408524

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 5.85 -13.36 1 7 0 80 422.529 5
Mid Mid (pH 6-8) 3.48 7.54 -59.97 2 7 1 82 423.537 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )